6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one

C23H23N7O3 — CID 129066816

IUPAC6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C23H23N7O3/c1-32-17-7-16(8-18(9-17)33-2)30-21(31)6-5-19(28-30)22-23(24)25-11-20(27-22)15-10-26-29(13-15)12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25)
InChIKeyYYJUTCUEPVSXDM-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.56
Rot. Bonds7

About 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one

6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 129066816) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID129066816
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C23H23N7O3/c1-32-17-7-16(8-18(9-17)33-2)30-21(31)6-5-19(28-30)22-23(24)25-11-20(27-22)15-10-26-29(13-15)12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25)
InChIKeyYYJUTCUEPVSXDM-UHFFFAOYSA-N
XLogP2.56
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

6-[3-amino-6-[1-[(5,5-dimethylmorpholin-2-yl)methyl]pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066687
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
CID 129066718
6-[3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-yl]-2-(2-chloro-6-fluoro-3-methoxyphenyl)pyridazin-3-one
CID 129057346
N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;hydrochloride
CID 134141677
7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline
CID 122605246
N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;hydrochloride
CID 134138981
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 137488723
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine
CID 163920758
5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 139409482
3-(cyclohexylmethyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 58567146
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine
CID 68891988

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one (CID 129066816) is 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one is COc1cc(OC)cc(-n2nc(-c3nc(-c4cnn(CC5CC5)c4)cnc3N)ccc2=O)c1.
What is the InChIKey of 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is YYJUTCUEPVSXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-32-17-7-16(8-18(9-17)33-2)30-21(31)6-5-19(28-30)22-23(24)25-11-20(27-22)15-10-26-29(13-15)12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25).
What are the key properties of 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one?
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 445.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129066816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).